N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine

C18H54N12P4 — CID 5085982

IUPACN-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=NP(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C18H54N12P4/c1-22(2)32(23(3)4,24(5)6)19-31(20-33(25(7)8,26(9)10)27(11)12)21-34(28(13)14,29(15)16)30(17)18/h1-18H3
InChIKeyABOTXDCBFPRPOZ-UHFFFAOYSA-N
MW562.61 g/mol
LogP4.11
Rot. Bonds12

About N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine

N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 5085982) has the molecular formula C18H54N12P4 and a molecular weight of 562.61 g/mol. Its IUPAC name is N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine
PubChem CID5085982
Molecular FormulaC18H54N12P4
Molecular Weight562.61 g/mol
Exact Mass562.35
IUPAC NameN-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=NP(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C18H54N12P4/c1-22(2)32(23(3)4,24(5)6)19-31(20-33(25(7)8,26(9)10)27(11)12)21-34(28(13)14,29(15)16)30(17)18/h1-18H3
InChIKeyABOTXDCBFPRPOZ-UHFFFAOYSA-N
XLogP4.11
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine (CID 5085982) is N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine is CN(C)P(=NP(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.
What is the InChIKey of N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is ABOTXDCBFPRPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H54N12P4/c1-22(2)32(23(3)4,24(5)6)19-31(20-33(25(7)8,26(9)10)27(11)12)21-34(28(13)14,29(15)16)30(17)18/h1-18H3.
What are the key properties of N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine?
N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 562.61 g/mol, XLogP of 4.11, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 5085982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).